Chlorine in PDB 2a4t: Crystal Structure of Spin Labeled T4 Lysozyme (V131R7)

All present enzymatic activity of Crystal Structure of Spin Labeled T4 Lysozyme (V131R7):
3.2.1.17;

The structure of Crystal Structure of Spin Labeled T4 Lysozyme (V131R7), PDB code: 2a4t was solved by M.R.Fleissner, D.Cascio, M.R.Sawaya, K.Hideg, W.L.Hubbell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.78 / 1.70
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	59.807, 59.807, 95.580, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 21.5

The structure of Crystal Structure of Spin Labeled T4 Lysozyme (V131R7) also contains other interesting chemical elements:

Bromine

(Br)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Spin Labeled T4 Lysozyme (V131R7) (pdb code 2a4t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Spin Labeled T4 Lysozyme (V131R7), PDB code: 2a4t:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Spin Labeled T4 Lysozyme (V131R7)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Spin Labeled T4 Lysozyme (V131R7) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl166 b:22.1 occ:1.00 O A:HOH234 2.8 16.8 1.0 O A:HOH272 2.9 27.1 1.0 O A:GLU11 2.9 11.8 1.0 OH A:TYR18 3.0 19.4 1.0 OE1 A:GLU11 3.0 15.6 1.0 O A:HOH365 3.4 28.8 1.0 C A:GLU11 3.8 11.6 1.0 O A:HOH299 3.8 26.4 1.0 CZ A:TYR18 3.9 17.2 1.0 CA A:GLU11 3.9 11.4 1.0 CE2 A:TYR18 3.9 18.4 1.0 CD A:GLU11 4.2 14.4 1.0 CB A:GLU11 4.3 11.9 1.0 CA A:GLY30 4.4 11.0 1.0 N A:GLY30 4.7 11.1 1.0 O A:ASP10 4.9 12.4 1.0 CG A:GLU11 4.9 11.5 1.0 CB A:ASP20 5.0 13.6 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Spin Labeled T4 Lysozyme (V131R7)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Spin Labeled T4 Lysozyme (V131R7) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl167 b:20.4 occ:1.00 O A:HOH286 2.6 22.5 1.0 O A:HOH214 3.0 16.2 1.0 N A:ARG145 3.1 11.6 1.0 N A:ASN144 3.3 11.5 1.0 C A:THR142 3.4 11.3 1.0 CA A:THR142 3.5 11.2 1.0 CB A:THR142 3.6 11.2 1.0 O A:THR142 3.7 12.1 1.0 CB A:ASN144 3.7 12.4 1.0 CB A:ARG145 3.7 12.5 1.0 N A:PRO143 3.8 11.2 1.0 CA A:ASN144 3.8 12.0 1.0 C A:ASN144 4.0 11.7 1.0 CA A:ARG145 4.1 11.8 1.0 CD A:PRO143 4.2 11.4 1.0 C A:PRO143 4.2 11.1 1.0 CG2 A:THR142 4.3 11.7 1.0 CA A:PRO143 4.6 11.0 1.0 CG A:ASN144 4.7 14.8 1.0 O A:HOH220 4.8 15.3 1.0 OG1 A:THR142 4.8 10.3 1.0 N A:THR142 4.9 10.8 1.0 CG A:PRO143 5.0 11.1 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Spin Labeled T4 Lysozyme (V131R7)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Spin Labeled T4 Lysozyme (V131R7) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl168 b:20.4 occ:1.00 O A:HOH305 3.1 33.0 1.0 O A:HOH213 3.2 14.6 1.0 O A:HOH259 3.3 21.3 1.0 CE1 A:HIS31 3.6 12.5 1.0 NE2 A:HIS31 4.0 11.1 1.0 CB A:ALA49 4.0 13.1 1.0 CA A:ALA49 4.5 13.2 1.0 NE2 A:GLN69 4.5 11.5 1.0 ND1 A:HIS31 4.8 13.3 1.0 CD2 A:LEU66 4.8 14.3 1.0

M.R.Fleissner, D.Cascio, M.R.Sawaya, K.Hideg, W.L.Hubbell. Crystal Structure of Spin Labeled T4 Lysozyme (V131R7 To Be Published.